CID 12667966

2-amino-3,6-dibromobenzoic acid

Structural Information

Molecular Formula
C7H5Br2NO2
SMILES
C1=CC(=C(C(=C1Br)C(=O)O)N)Br
InChI
InChI=1S/C7H5Br2NO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,10H2,(H,11,12)
InChIKey
SQZPTOHJOFPPLZ-UHFFFAOYSA-N
Compound name
2-amino-3,6-dibromobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

292.8687 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.87598 139.4
[M+Na]+ 315.85792 150.1
[M-H]- 291.86142 144.9
[M+NH4]+ 310.90252 157.5
[M+K]+ 331.83186 133.9
[M+H-H2O]+ 275.86596 146.3
[M+HCOO]- 337.86690 154.7
[M+CH3COO]- 351.88255 202.3
[M+Na-2H]- 313.84337 144.5
[M]+ 292.86815 171.3
[M]- 292.86925 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe